SCHEMBL3066221

SCHEMBL3066221

CC(=O)N(Cc1ccc(N2CCOCC2)nc1)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
DGAT1 O75907 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 4/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 3/20 0.42
ME2 P23368 1/20 0.42
ME1 P48163 1/20 0.42
ME3 Q16798 1/20 0.42
HPGD P15428 2/20 0.41
WNT3A P56704 1/20 0.41
HDAC10 Q969S8 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3064704 0.89 AOC3 (0.47) AOC3NPC1RAB9ACYP11B1CYP11B2
SCHEMBL3060789 0.86 ACHE (0.41) ALDH1A1KDM4EME2ME1ME3
SCHEMBL8178883 0.86 MAPT (0.53) AOC3RAB9ACYP11B1CYP11B2ALDH1A1
SCHEMBL3063844 0.84 OPRM1 (0.47) RAB9AALDH1A1KDM4EME2ME1
SCHEMBL3054819 0.84 ACHE (0.45) KDM4EME2ME1ME3
SCHEMBL3823664 0.84 MAPT (0.53) AOC3RAB9ADGAT1ALDH1A1KDM4E
SCHEMBL3053947 0.83 HRH3 (0.41) ALDH1A1KDM4EME2ME1ME3
SCHEMBL4784137 0.82 PDK1 (0.50) AOC3NPC1RAB9AALDH1A1KDM4E
SCHEMBL3064212 0.81 OPRM1 (0.41) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL3060784 0.80 AOC3 (0.41) AOC3CYP11B1CYP11B2DGAT1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US claimed
EP-2099754-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-16 EP claimed
WO-2008073929-A1 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed
US-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S AOC3 4426/4885NPC1 481/4885RAB9A 997/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.